Spektraris NMR
Ixerinoside
Common Name: Ixerinoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O9/c1-7-4-11(23)15-9(3)12(5-10-8(2)20(27)30-19(10)14(7)15)28-21-18(26)17(25)16(24)13(6-22)29-21/h4,9-10,12-19,21-22,24-26H,2,5-6H2,1,3H3/t9-,10-,12+,13+,14-,15+,16+,17-,18+,19-,21+/m0/s1
InChIKey: InChIKey=UQNQDYIBGGNLDL-GMDYABPBSA-N
Formula: C21H28O9
Molecular Weight: 424.442439
Exact Mass: 424.173332
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhang, Y.C., Zhou, L., Ng, K.Y. J Asian Nat Prod Res (2009) 11, 294-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 47.4 |
| 2 (C) | 210.8 |
| 3 (CH) | 132.5 |
| 4 (C) | 179.7 |
| 5 (CH) | 53 |
| 6 (CH) | 81.8 |
| 7 (CH) | 41 |
| 8 (CH2) | 29.9 |
| 9 (CH) | 80.1 |
| 10 (CH) | 40.2 |
| 11 (C) | 139.8 |
| 12 (C) | 169.8 |
| 13 (CH2) | 119.3 |
| 14 (CH3) | 13.6 |
| 15 (CH3) | 18.8 |
| 1' (CH) | 104.6 |
| 2' (CH) | 75.1 |
| 3' (CH) | 79.1 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 63.2 |
